[gmx-users] installation

[Nuno Azoia]

On Wed, 2009-06-03 at 00:42 +1000, Mark Abraham wrote:
> Nuno Azoia wrote:
> > Hello!
> > 
> > Just like Manik Mayur suggested, the problem should be the links:
> 
> Making links may fix the problem of finding executables if that link 
> location is already in your path, but it won't fix your other 
> environment variables, or perhaps if you used configure --prefix.
> 
> > Gromacs gives you the possibility to create links to /usr/bin directory
> > (ot something similar). If you didn't do that, one of the option is
> > trying to run the programs using the full path. Instead of using
> > pdb2gmx, try to use /usr/local/gromacs/bin/pdb2gmx. Replace
> > "/usr/local/gromacs" with the directory where you install gromacs. If
> > you didn't choose anything it probably is /usr/local/gromacs.
> 
> Call "source /path/to/GMXRC", then go do science.

That's what I love the most in this list, always learning something
interesting.
Thanks.

Nuno Azoia
> 
> Mark
> 
> > I hope this can help
> > 
> > Nuno Azoia
> > 
> > On Tue, 2009-06-02 at 12:21 +0530, Samik Bhattacharya wrote:
> >> hi,I
> >>  
> >> i am facing a lot of troubles in installing Gromacs in my Redhat
> >> machine..I've followed all the instructions given in the manual as
> >> well as in the website. ialso have installed fftw,its compiling with
> >> no problem. . but whenever i run pdb2gmx or command lke that its
> >> giving an error "command not found". a little help regarding this
> >> matter will be very encouraging. 
> >> thankx
> >>  Shamik
> >>
> >>
> >>
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